Skip Nav Destination
Issues
Structures of perylene complexes with long‐chain alkanes and alkyl halides examined by rotational coherence spectroscopy
J. Chem. Phys. 101, 9219–9231 (1994)
https://doi.org/10.1063/1.468013
EXAFS and Raman studies of dysprosium doped sodium sulfates
J. Chem. Phys. 101, 9232–9235 (1994)
https://doi.org/10.1063/1.468014
Near‐infrared vibronic spectrum of the CH2 b̃ 1B1←ã 1A1 transition
J. Chem. Phys. 101, 9236–9245 (1994)
https://doi.org/10.1063/1.468015
Microsolvation of aromatic molecules by argon: Structure of fluorene–(Ar)2 from high‐resolution ultraviolet spectroscopy
J. Chem. Phys. 101, 9257–9261 (1994)
https://doi.org/10.1063/1.468017
Thermal recovery and spectral diffusion of photochemical holes in polymorphic systems
J. Chem. Phys. 101, 9262–9270 (1994)
https://doi.org/10.1063/1.468018
Evidence for predissociation of N2 a 1Πg(v≥7) by direct coupling to the A′ 5Σ+g state
J. Chem. Phys. 101, 9271–9279 (1994)
https://doi.org/10.1063/1.468019
Raman spectra of mass‐selected cobalt dimers in argon matrices
J. Chem. Phys. 101, 9280–9282 (1994)
https://doi.org/10.1063/1.467957
High‐resolution Fourier transform emission spectroscopy of YH
J. Chem. Phys. 101, 9283–9288 (1994)
https://doi.org/10.1063/1.467958
Laser‐perturbed nuclear magnetic resonance spectroscopy and the conservation of parity
J. Chem. Phys. 101, 9289–9294 (1994)
https://doi.org/10.1063/1.467959
Optimal squeezing of vibrational wave packets in sodium dimers
J. Chem. Phys. 101, 9295–9302 (1994)
https://doi.org/10.1063/1.467960
(3+1) resonance enhanced multiphoton ionization photoelectron spectroscopy on nf Rydberg states of carbon dioxide
J. Chem. Phys. 101, 9303–9325 (1994)
https://doi.org/10.1063/1.467961
Intersystem crossing dynamics in the spin–crossover systems [M:Fe(pic)3]Cl2⋅Sol (M=Mn or Zn, Sol=MeOH or EtOH)
J. Chem. Phys. 101, 9326–9332 (1994)
https://doi.org/10.1063/1.467962
Temperature variation of the structural parameters in actinide tetrafluorides
S. Kern; J. Hayward; S. Roberts; J. W. Richardson, Jr.; F. J. Rotella; L. Soderholm; B. Cort; M. Tinkle; M. West; D. Hoisington; G. H. Lander
J. Chem. Phys. 101, 9333–9337 (1994)
https://doi.org/10.1063/1.467963
Neutron inelastic scattering studies of UF4 and NpF4
S. Kern; G. H. Lander; L. Soderholm; C.‐K. Loong; F. Trouw; M. West; D. Hoisington; B. Cort; U. Welp
J. Chem. Phys. 101, 9338–9343 (1994)
https://doi.org/10.1063/1.467964
Photoelectron spectroscopy of Cl−, Br−, and I− solvated in water clusters
J. Chem. Phys. 101, 9344–9353 (1994)
https://doi.org/10.1063/1.467965
Quantum effects in electron transfer reactions with strong electronic coupling
J. Chem. Phys. 101, 9354–9365 (1994)
https://doi.org/10.1063/1.468444
Exciton induced decay of krypton clusters
J. Chem. Phys. 101, 9366–9369 (1994)
https://doi.org/10.1063/1.467966
Line shape analysis of the depolarized Rayleigh spectra of CS2/PS mixtures
J. Chem. Phys. 101, 9370–9376 (1994)
https://doi.org/10.1063/1.467967
Single molecule lines and spectral hole burning of terrylene in different matrices
J. Chem. Phys. 101, 9377–9383 (1994)
https://doi.org/10.1063/1.467968
Alignment and orientation of nonpolar molecules utilizing the laser‐induced ac‐Stark effect
J. Chem. Phys. 101, 9384–9394 (1994)
https://doi.org/10.1063/1.467969
A single arrangement variational method for reactive scattering: Total and state‐resolved reaction probabilities
J. Chem. Phys. 101, 9395–9404 (1994)
https://doi.org/10.1063/1.467970
Pressure‐induced widths and shifts for the ν3 band of methane
J. Chem. Phys. 101, 9412–9421 (1994)
https://doi.org/10.1063/1.467972
State specific electronic quenching rates for the N2 a 1Πg(v=0) level from collisions with He, Ar, and N2
J. Chem. Phys. 101, 9422–9428 (1994)
https://doi.org/10.1063/1.467973
The extension of wave operator‐Floquet formalism to molecular photodissociation processes with short laser pulses
J. Chem. Phys. 101, 9429–9435 (1994)
https://doi.org/10.1063/1.467974
Infrared laser‐induced photofragmentation of the positive and negative ions of size‐selected SF6 (NO)n clusters
J. Chem. Phys. 101, 9436–9446 (1994)
https://doi.org/10.1063/1.467975
Photodissociation of molecules oriented by dc electric fields: Determining photofragment angular distributions
J. Chem. Phys. 101, 9447–9456 (1994)
https://doi.org/10.1063/1.467976
Photofragment vibrational, rotational, and translational distributions for N2–HF (v=1)
J. Chem. Phys. 101, 9457–9468 (1994)
https://doi.org/10.1063/1.467977
Coupled‐channel scattering calculations of ICN(ÖX̃) photodissociation using ab initio potentials
J. Chem. Phys. 101, 9469–9479 (1994)
https://doi.org/10.1063/1.467978
Thermal rate constants for the Cl+H2 and Cl+D2 reactions between 296 and 3000 K
J. Chem. Phys. 101, 9487–9498 (1994)
https://doi.org/10.1063/1.468486
Experimental and theoretical velocity profiles for pure rotational scattering: CO–hot hydrogen atom collisions
J. Chem. Phys. 101, 9499–9505 (1994)
https://doi.org/10.1063/1.467980
Collisional intramolecular energy transfer CN(X 2Σ→A 2Π) in a beam
J. Chem. Phys. 101, 9506–9512 (1994)
https://doi.org/10.1063/1.467981
Gas phase reactions of the sulfur‐34 anion with CS2, OCS, and H2S as a function of kinetic energy
J. Chem. Phys. 101, 9513–9518 (1994)
https://doi.org/10.1063/1.467982
Electron and energy transfer processes of photoexcited oligothiophenes onto tetracyanoethylene and C60
J. Chem. Phys. 101, 9519–9527 (1994)
https://doi.org/10.1063/1.467983
The formation, photodissociation, and bond structure of cobalt–sulfur cluster ions
J. Chem. Phys. 101, 9528–9533 (1994)
https://doi.org/10.1063/1.467984
Spatiotemporal patterns in an isothermal heterogeneous model of a fixed‐bed reactor
J. Chem. Phys. 101, 9573–9581 (1994)
https://doi.org/10.1063/1.467988
Product branching fractions in the reactions of NH(a 1Δ) and NH(X 3Σ−) with NO
J. Chem. Phys. 101, 9582–9588 (1994)
https://doi.org/10.1063/1.467989
Calculation of rotational state‐to‐state ozone relaxation rates for O3–N2 and O3–O3 collisions
J. Chem. Phys. 101, 9589–9596 (1994)
https://doi.org/10.1063/1.467924
Ab initio structure and wave packet dynamics of ICN photodissociation
J. Chem. Phys. 101, 9597–9609 (1994)
https://doi.org/10.1063/1.467925
Velocity relaxation of hot O(1D) atoms by collisions with rare gases, N2, and O2
J. Chem. Phys. 101, 9610–9618 (1994)
https://doi.org/10.1063/1.467926
Molecular reorientation cross sections in collisions of He(1S)+D2(B 1Σ+u), HD(B 1Σ+u)
J. Chem. Phys. 101, 9619–9623 (1994)
https://doi.org/10.1063/1.468484
The Ar–O2 anisotropic interaction from a global analysis of dynamical properties
J. Chem. Phys. 101, 9624–9634 (1994)
https://doi.org/10.1063/1.467927
The influence of translational excitation on the dynamics of the reaction between OH and HCN
J. Chem. Phys. 101, 9635–9641 (1994)
https://doi.org/10.1063/1.467928
State‐to‐state relaxation of highly vibrationally excited acetylene by argon
J. Chem. Phys. 101, 9642–9647 (1994)
https://doi.org/10.1063/1.467929
Molecular dynamics simulation studies of solvent cage effects on photodissociation in condensed phases
J. Chem. Phys. 101, 9663–9671 (1994)
https://doi.org/10.1063/1.467931
On the relation between unimolecular reaction rates and overlapping resonances
J. Chem. Phys. 101, 9672–9680 (1994)
https://doi.org/10.1063/1.467932
Competition between unimolecular C–Br–bond fission and Br2 elimination in vibrationally highly excited CF2Br2
J. Chem. Phys. 101, 9681–9690 (1994)
https://doi.org/10.1063/1.467933
Relativistic all‐electron ab initio calculations of ground and excited states of LiHg including spin–orbit effects
J. Chem. Phys. 101, 9691–9700 (1994)
https://doi.org/10.1063/1.467934
The determination of hyperpolarizabilities using density functional theory with nonlocal functionals
J. Chem. Phys. 101, 9704–9709 (1994)
https://doi.org/10.1063/1.468443
Spatial and temporal decay of localized electrons in solids: One‐dimensional model
J. Chem. Phys. 101, 9710–9715 (1994)
https://doi.org/10.1063/1.467936
Nonlocal electrodynamics of weakly confined excitons in semiconductor nanostructures
J. Chem. Phys. 101, 9719–9735 (1994)
https://doi.org/10.1063/1.467938
Intermolecular dynamics of benzene–rare gas complexes as derived from microwave spectra
J. Chem. Phys. 101, 9736–9746 (1994)
https://doi.org/10.1063/1.467939
Theoretical study of hydrogen bonding and proton transfer in the ground and lowest excited singlet states of tropolone
J. Chem. Phys. 101, 9755–9765 (1994)
https://doi.org/10.1063/1.467941
Application of density functional methods for the study of hydrogen‐bonded systems: The hydrogen fluoride dimer
J. Chem. Phys. 101, 9793–9799 (1994)
https://doi.org/10.1063/1.467944
The electric field gradient at the N nuclei and the topology of the charge distribution in the protonation of urea
J. Chem. Phys. 101, 9800–9806 (1994)
https://doi.org/10.1063/1.467945
Molecular integrals with Slater basis. V. Recurrence algorithm for the exchange integrals
J. Chem. Phys. 101, 9807–9816 (1994)
https://doi.org/10.1063/1.467946
Rotation–vibrational states of H+3 computed using hyperspherical coordinates and harmonics
J. Chem. Phys. 101, 9817–9829 (1994)
https://doi.org/10.1063/1.467947
Structure of water in the liquid and supercritical states by rapid x‐ray diffractometry using an imaging plate detector
J. Chem. Phys. 101, 9830–9836 (1994)
https://doi.org/10.1063/1.467948
Hierarchical characterization of energy landscapes using Gaussian packet states
J. Chem. Phys. 101, 9844–9857 (1994)
https://doi.org/10.1063/1.468485
Numerical study of the phase diagram of a mixture of spherical and rodlike colloids
J. Chem. Phys. 101, 9869–9875 (1994)
https://doi.org/10.1063/1.467953
The relaxation of structural fluctuations in a lattice model of a simple liquid
J. Chem. Phys. 101, 9894–9902 (1994)
https://doi.org/10.1063/1.467956
Turbulence and standing waves in oscillatory chemical reactions with global coupling
J. Chem. Phys. 101, 9903–9908 (1994)
https://doi.org/10.1063/1.468482
Understanding colloidal charge renormalization from surface chemistry: Experiment and theory
J. Chem. Phys. 101, 9924–9936 (1994)
https://doi.org/10.1063/1.467894
Dielectric relaxation and structural study of aniline–methanol mixture using picosecond time domain reflectometry
J. Chem. Phys. 101, 9956–9960 (1994)
https://doi.org/10.1063/1.467897
Implications of the volume dependent convergence of anharmonic free energy methods
J. Chem. Phys. 101, 9961–9965 (1994)
https://doi.org/10.1063/1.467898
Conformation change‐driven anchoring transition of liquid crystals on crown ether liquid crystal Langmuir–Blodgett films
J. Chem. Phys. 101, 10023–10027 (1994)
https://doi.org/10.1063/1.468446
Non‐Arrhenius behavior in the initial rate of a catalytic‐surface reaction: Theory and Monte Carlo simulation
J. Chem. Phys. 101, 10028–10037 (1994)
https://doi.org/10.1063/1.467991
Effect of an adsorbing surface on the phase behavior of a confined semiflexible liquid crystal
J. Chem. Phys. 101, 10038–10044 (1994)
https://doi.org/10.1063/1.467992
Molecular dynamics simulation of crystalline poly(ethylene oxide)
J. Chem. Phys. 101, 10064–10073 (1994)
https://doi.org/10.1063/1.467995
Ab initio Hartree–Fock self‐consistent‐field molecular dynamics study of structure and dynamics of Li8
J. Chem. Phys. 101, 10092–10100 (1994)
https://doi.org/10.1063/1.467997
Molecular dynamics simulation of the approach and withdrawal of a model crystalline metal to a silica glass surface
J. Chem. Phys. 101, 10101–10106 (1994)
https://doi.org/10.1063/1.467998
Bonding geometry and mechanism of NO adsorbed on Cu2O(111): NO activation by Cu+ cations
J. Chem. Phys. 101, 10134–10139 (1994)
https://doi.org/10.1063/1.468002
Molecular desorption of methyl halides from GaAs(110): The role of lateral dipole–dipole interaction between adsorbates
J. Chem. Phys. 101, 10145–10154 (1994)
https://doi.org/10.1063/1.468004
A comprehensive experimental study of the dynamical interaction of He atoms with Cu(001) surface phonons
J. Chem. Phys. 101, 10155–10172 (1994)
https://doi.org/10.1063/1.468005
Observation of unprotonated ammonia cluster ions generated via multiphoton ionization mass spectrometry
J. Chem. Phys. 101, 10193–10194 (1994)
https://doi.org/10.1063/1.468010
Erratum: On the mean spherical approximation for hard ions and dipoles [J. Chem. Phys. 96, 3039 (1992)]
J. Chem. Phys. 101, 10197 (1994)
https://doi.org/10.1063/1.468516
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
CREST—A program for the exploration of low-energy molecular chemical space
Philipp Pracht, Stefan Grimme, et al.